Atrovastatin-PEG3-FITC | CAS#1440755-31-6

MedKoo Cat#: 556344 | Name: Atrovastatin-PEG3-FITC

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Atrovastatin-PEG3-FITC is a KRAS-PDEδ interaction inhibitor, which can be used as a ligand in fluorescence anisotropy assay.

Chemical Structure

Atrovastatin-PEG3-FITC

CAS#1440755-31-6

Theoretical Analysis

MedKoo Cat#: 556344

Name: Atrovastatin-PEG3-FITC

CAS#: 1440755-31-6

Chemical Formula: C64H68FN5O12S

Exact Mass: 1149.4569

Molecular Weight: 1150.33

Elemental Analysis: C, 66.82; H, 5.96; F, 1.65; N, 6.09; O, 16.69; S, 2.79

Price and Availability

Size	Price	Availability
25mg	USD 750.00	2 Weeks
50mg	USD 1,250.00	2 Weeks
100mg	USD 1,950.00	2 Weeks
200mg	USD 2,950.00	2 Weeks

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Related CAS #

1440755-31-6

Synonym

Atrovastatin-PEG3-FITC; Atrovastatin PEG3-FITC; Atrovastatin-PEG3 FITC

IUPAC/Chemical Name

1-((19R,21R)-1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-19,21-dihydroxy-17-oxo-1-thioxo-6,9,12-trioxa-2,16-diazatricosan-23-yl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide

InChi Key

WHWNHUTWCMCCLV-YYACYCFASA-N

InChi Code

InChI=1S/C64H68FN5O12S/c1-40(2)59-58(61(76)68-44-13-7-4-8-14-44)57(41-11-5-3-6-12-41)60(42-15-17-43(65)18-16-42)70(59)28-25-48(73)36-49(74)39-56(75)66-26-9-29-78-31-33-80-34-32-79-30-10-27-67-63(83)69-45-19-22-51-50(35-45)62(77)82-64(51)52-23-20-46(71)37-54(52)81-55-38-47(72)21-24-53(55)64/h3-8,11-24,35,37-38,40,48-49,71-74H,9-10,25-34,36,39H2,1-2H3,(H,66,75)(H,68,76)(H2,67,69,83)/t48-,49-/m1/s1

SMILES Code

O=C1OC2(C3=CC=C(O)C=C3OC4=CC(O)=CC=C42)C5=CC=C(NC(NCCCOCCOCCOCCCNC(C[C@H](O)C[C@H](O)CCN6C(C7=CC=C(C=C7)F)=C(C8=CC=CC=C8)C(C(NC9=CC=CC=C9)=O)=C6C(C)C)=O)=S)C=C51

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,150.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1]. Gunther Zimmermann, et al. Small molecule inhibition of the KRAS-PDEδ interaction impairs oncogenic KRAS signaling. Nature. 2013 May 30;497(7451):638-42. [2]. Yan Jiang, et al. Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors. J Med Chem. 2017 Nov 22;60(22):9400-9406.